NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 M 4.3991 8.3044 118.1976 55.0726 32.5331 174.1704 9 R 4.2927 8.1708 119.3440 53.6281 31.6830 173.7576 10 I 3.8568 8.5165 127.5010 62.2435 38.0406 175.5485 11 T 4.6240 8.3511 116.9489 61.6550 69.3311 175.0976 12 Q 4.2252 7.9384 120.4926 57.0020 28.7670 176.1808 13 G 4.0925 8.5992 106.1341 46.1226 0.0000 175.0760 14 T 3.8272 8.4782 119.0804 65.6622 68.6447 175.2138 15 F 5.1738 7.5233 119.2763 57.3226 40.0797 176.7769 16 S 4.4800 8.4967 116.9201 60.5319 62.6938 175.0864 17 F 4.2520 8.3324 117.8314 57.9655 39.3770 175.5955 18 L 4.6803 7.6595 120.4939 52.1878 43.1886 174.4457 19 P 4.4531 0.0000 0.0000 62.2819 31.8627 176.2587 20 D 4.4683 8.5342 119.5479 54.7006 41.0882 177.2051 21 L 4.3372 8.4426 123.9099 54.9238 42.4554 177.4143 22 T 4.4197 8.9535 112.8745 60.8738 71.5094 175.8259 23 D 4.3776 8.5016 120.8605 57.2508 40.7513 178.6375 24 E 3.9056 8.1112 119.4719 59.5758 29.8165 178.6940 25 Q 3.9575 8.1479 117.9214 59.1089 28.7524 179.1565 26 I 3.7877 8.1734 121.2194 64.0863 37.1296 178.3537 27 K 4.0223 8.3096 120.9331 59.4203 32.0055 179.0727 28 K 4.1724 8.0587 118.7956 59.6653 32.0010 179.4202 29 Q 4.0484 8.0654 118.2571 58.9308 28.4288 178.9245 30 I 3.9597 7.9837 121.0780 64.1991 37.0668 178.0707 31 D 4.3872 8.2040 119.9278 57.5047 40.6423 178.0272 32 Y 4.1200 8.0550 119.8774 61.2360 38.8003 178.2286 33 M 3.9224 8.3170 119.3505 58.4893 32.1702 178.8965 34 I 3.7720 8.2006 120.5965 64.2914 37.0346 178.6505 35 S 4.2169 8.2531 114.7112 60.4462 62.7752 175.4647 36 K 4.3602 7.2570 120.2764 55.5367 33.2203 176.2556 37 K 3.8592 7.6380 115.5550 57.2816 30.3688 175.1235 38 L 4.7259 7.5952 116.4342 54.1650 43.3737 176.9323 39 A 4.5577 9.0173 123.8630 51.0912 20.7245 176.2393 40 I 4.8308 8.6624 124.2370 59.6424 39.4142 175.2979 41 G 4.4859 8.9761 113.3333 44.3617 0.0000 171.3672 42 I 5.2058 8.2990 120.7021 59.4437 40.7007 174.5692 43 E 5.5225 9.1953 124.6481 55.4996 34.6627 173.6125 44 Y 6.0541 8.9782 118.4638 57.5728 42.0087 173.3164 45 T 4.7369 8.0431 108.5522 61.0510 71.7749 172.6278 46 N 5.1156 8.7305 117.7624 52.5837 37.7928 174.6967 47 D 4.6085 7.4746 119.0204 53.5050 41.4065 174.4303 48 I 4.1719 7.7057 118.9552 60.4105 38.3644 176.4294 49 H 4.3972 8.1519 121.7615 56.6830 29.9938 174.2513 50 P 4.5881 0.0000 0.0000 64.6524 31.2937 176.9914 51 R 4.2791 7.9816 116.0682 56.3888 30.4609 175.4410 *64 N 4.7302 7.9720 116.9520 53.3809 38.8619 174.4502 65 A 3.8565 7.9352 123.4840 53.7110 18.9983 177.8824 66 Y 4.8298 7.0709 113.0779 55.5899 37.7885 175.4055 67 W 4.5839 8.4052 123.6825 55.9915 30.8493 175.3094 68 E 4.1918 9.1399 121.7886 56.3083 29.9154 176.4305 69 I 4.4249 8.2065 117.4393 60.0080 39.3194 175.8950 70 W 4.6704 9.3747 135.0000 56.7831 29.4775 177.6628 71 G 3.5747 8.0102 115.8084 44.7839 0.0000 170.3543 72 L 4.5192 8.0735 121.7017 52.5758 43.7270 175.4429 73 P 4.2724 0.0000 0.0000 62.2057 31.9478 176.0976 74 L 4.0428 8.7492 123.1455 54.6739 41.9819 176.3430 75 F 4.3293 8.5741 125.0913 59.6198 38.7753 177.3853 76 D 4.7535 8.5662 125.2723 54.0982 39.6488 175.7473 77 V 3.9579 7.5483 119.7330 62.7129 32.8048 175.4680 78 T 4.4104 8.6194 122.5090 63.6410 71.1414 173.6275 79 D 4.9069 7.8064 121.2455 51.3272 42.8204 174.6923 80 P 4.4061 0.0000 0.0000 65.6054 31.0752 178.1786 81 A 4.0862 8.0028 120.7125 55.0981 18.3911 179.3308 82 A 4.1047 8.1718 119.1805 55.2085 18.4111 180.0770 83 V 3.7543 7.6743 116.3743 65.9988 31.8308 177.9036 84 L 4.0500 8.4842 120.5687 57.9291 41.8637 178.7560 85 F 4.2818 8.7783 121.2527 61.5073 39.4203 177.0756 86 E 4.0002 8.0228 117.1593 59.2603 29.2722 179.3017 87 I 3.6001 7.8844 120.0267 64.4900 37.0745 178.1572 88 N 4.3062 8.1439 116.9148 55.7258 38.4329 177.5020 89 A 3.7347 7.6268 122.5144 54.9628 18.3296 179.2672 90 C 2.0000 7.7262 117.4200 61.8142 31.2973 175.7042 91 R 3.6767 7.3775 119.6226 59.2870 29.4512 178.8465 92 K 3.7884 7.7827 117.7005 59.4423 32.2230 178.2784 93 A 4.1257 7.3068 119.7700 53.5592 19.3201 177.8845 94 R 4.3143 8.2220 116.9184 54.6755 30.8729 177.4054 95 S 4.1713 8.4783 113.9823 60.2688 63.3677 175.7001 96 N 4.8137 7.9946 117.4818 51.7866 36.9716 173.9363 97 F 4.6730 7.6449 115.0868 56.5860 44.1017 175.7924 98 Y 4.3711 8.6535 119.0936 57.9956 39.1284 174.8313 99 I 5.5177 9.1574 124.5060 59.5084 41.1979 174.6739 100 K 5.0233 9.4494 124.6221 55.1252 36.7412 174.9298 101 V 4.7016 7.8570 120.5564 61.0005 34.2678 174.4526 102 V 4.7469 8.8509 127.0433 60.9503 35.0886 174.1942 103 G 4.4660 9.1429 114.5119 44.5283 0.0000 171.5686 104 F 5.2639 9.3817 129.1542 56.4362 41.9331 174.1022 105 S 4.8508 7.7494 120.4070 56.5200 64.5049 174.3305 106 S 4.5441 8.5195 121.1142 58.0143 63.4162 174.2321 107 V 3.5554 7.7780 122.7193 64.3743 31.3907 177.5180 107A R 3.7209 8.0919 127.8676 59.3032 31.2306 177.4442 107B G 3.6649 7.9469 105.9094 47.6384 0.0000 173.3071 108 I 3.7816 7.6944 121.3032 58.1731 38.0046 175.2097 109 E 4.0628 7.7833 122.3618 55.8570 27.5098 173.0662 110 S 4.6224 6.2720 110.9864 57.4802 66.5683 174.3157 111 T 4.6399 8.6442 119.2371 63.6872 68.5906 174.5235 112 I 4.5714 8.4176 117.3189 59.8072 39.1685 174.8803 113 I 4.0966 7.4818 119.2188 60.8977 41.4323 172.9040 114 S 4.9896 8.2704 123.7098 57.3443 65.5229 172.6280 115 F 5.3342 8.4083 122.0909 54.8189 41.5643 174.1984 116 I 4.4677 8.7015 121.6060 61.6592 37.4934 176.1211 117 V 4.5957 8.9559 118.9201 60.5217 33.5749 175.0179 118 N 4.4826 7.6726 116.1967 53.1049 42.0506 173.5448 119 R 4.2646 8.4789 124.5094 53.0821 33.6786 173.4392 120 P 4.2337 0.0000 0.0000 62.0848 32.1361 176.5751 121 K 4.0839 8.4358 117.1769 59.0959 32.0646 177.5317 122 H 4.7879 7.9532 116.0518 54.0797 32.7030 171.6784 123 E 4.7240 8.3936 126.8514 53.7098 30.4822 173.6010 124 P 4.2750 0.0000 0.0000 64.0670 32.2246 176.6522 125 G 3.8828 8.8772 104.0126 43.6900 0.0000 171.8098 126 F 5.0529 8.5740 117.0378 55.6429 42.8915 174.1562 127 N 4.8801 8.9371 119.4000 51.8225 41.2784 173.2695 128 L 5.0211 8.5374 126.7907 53.6850 44.5331 175.1269 129 M 4.4635 9.0569 127.0064 54.4877 33.8260 175.7544 130 R 4.1506 8.5916 122.8462 54.3459 31.4610 173.9640 131 Q 4.2394 8.3222 125.2448 54.8878 30.5693 174.2533 132 E 4.5195 8.7450 126.8381 55.6917 29.6823 175.6700 133 D 4.8244 8.4319 129.7033 53.4749 40.7048 176.6285 134 K 4.1701 8.5599 116.4267 57.5702 34.0409 177.9013 135 S 3.4862 8.2703 118.3463 60.1684 62.5339 174.1762 136 R 4.4176 8.7520 128.0439 56.9579 30.7214 176.3159 137 S 4.3861 8.0574 115.6287 58.9685 64.0692 173.4417 138 I 4.8815 8.1133 122.3810 59.4466 40.8536 175.0103 139 K 4.4101 8.8201 126.5023 55.1149 33.3378 175.4459 140 Y 5.3163 8.5007 122.7288 57.1016 39.6685 175.6671 141 T 4.6815 8.3899 117.5007 62.3479 72.7751 172.6569 142 I 4.8977 8.5266 127.3227 60.0081 39.3699 174.8097 143 H 4.9412 8.8637 125.7638 54.4873 33.5557 172.7971 144 S 4.1820 8.4432 120.4982 57.9173 63.9409 174.4631 145 Y 4.5286 8.0226 121.3774 61.4810 37.5354 179.0804 146 E 3.9138 7.9641 118.9937 59.0712 29.3782 178.6301 147 S 4.2906 7.5517 113.1076 60.0211 62.9265 174.9431 148 Y 4.5606 7.4220 118.3429 57.6484 38.1383 174.9334 149 K 4.7444 7.2199 119.3849 53.3043 35.5131 174.2251 150 P 4.4963 0.0000 0.0000 62.4884 32.3458 177.0276 151 E 3.9179 9.0797 120.1594 59.9003 29.3488 179.3469 152 D 4.5717 8.2107 115.0633 55.3124 39.3068 176.4935 153 E 4.6269 8.1022 118.2316 56.1099 30.3724 175.7507 154 R 4.2700 8.0349 118.4001 56.2277 31.3685 176.2859 155 Y 3.8681 8.7565 118.8213 58.6865 38.6042 170.5744 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 8 M 8.30 4.40 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.67 0.00 9 R 8.17 4.29 0.00 1.80 1.75 0.00 3.18 0.00 0.00 3.06 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.73 0.00 10 I 8.52 3.86 1.89 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.49 0.89 0.00 0.00 11 T 8.35 4.62 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 12 Q 7.94 4.23 0.00 2.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.55 0.00 0.00 0.00 0.00 0.00 2.48 2.40 0.00 13 G 8.60 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.48 3.83 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 15 F 7.52 5.17 0.00 3.24 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.50 4.48 0.00 4.02 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 F 8.33 4.25 0.00 3.04 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.66 4.68 0.00 1.86 1.62 0.93 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.45 0.00 2.04 2.01 0.00 3.71 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 20 D 8.53 4.47 0.00 2.68 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.44 4.34 0.00 1.70 1.57 0.67 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.95 4.42 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 23 D 8.50 4.38 0.00 2.80 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.11 3.91 0.00 1.99 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 25 Q 8.15 3.96 0.00 2.29 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 26 I 8.17 3.79 2.10 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.25 1.12 0.00 0.00 27 K 8.31 4.02 0.00 1.97 2.06 0.00 1.67 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.65 7.81 28 K 8.06 4.17 0.00 1.99 1.79 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.62 7.81 29 Q 8.07 4.05 0.00 2.13 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.21 1.74 0.00 30 I 7.98 3.96 2.11 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.21 0.99 0.00 0.00 31 D 8.20 4.39 0.00 2.96 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.05 4.12 0.00 3.09 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 M 8.32 3.92 0.00 2.18 2.32 0.00 0.00 0.00 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.16 2.82 0.00 34 I 8.20 3.77 2.11 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.21 0.99 0.00 0.00 35 S 8.25 4.22 0.00 3.95 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 7.26 4.36 0.00 1.41 1.68 0.00 1.49 0.00 0.00 1.58 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.19 0.97 7.81 37 K 7.64 3.86 0.00 1.83 1.85 0.00 1.65 0.00 0.00 1.68 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.44 7.81 38 L 7.60 4.73 0.00 1.65 1.63 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 39 A 9.02 4.56 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 8.66 4.83 1.87 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.66 0.94 0.00 0.00 41 G 8.98 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.30 5.21 2.13 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.92 0.89 0.00 0.00 43 E 9.20 5.52 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 44 Y 8.98 6.05 0.00 3.21 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.04 4.74 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 46 N 8.73 5.12 0.00 2.80 2.23 0.00 0.00 5.72 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 D 7.47 4.61 0.00 2.60 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.71 4.17 1.71 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.40 -0.04 0.00 0.00 49 H 8.15 4.40 0.00 3.30 3.23 0.00 5.60 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.59 0.00 2.12 2.04 0.00 2.82 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.57 0.00 51 R 7.98 4.28 0.00 1.88 1.94 0.00 3.30 0.00 0.00 3.08 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 *64 N 7.97 4.73 0.00 2.86 2.98 0.00 0.00 7.57 8.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 A 7.94 3.86 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 7.07 4.83 0.00 3.17 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 W 8.41 4.58 0.00 3.21 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 E 9.14 4.19 0.00 1.16 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.33 0.00 69 I 8.21 4.42 1.91 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.58 0.94 0.00 0.00 70 W 9.37 4.67 0.00 3.56 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.01 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.07 4.52 0.00 1.58 1.58 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.27 0.00 1.61 1.82 0.00 3.80 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.81 0.00 74 L 8.75 4.04 0.00 1.79 1.66 0.98 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 75 F 8.57 4.33 0.00 3.11 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 D 8.57 4.75 0.00 2.74 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 V 7.55 3.96 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.06 0.00 0.00 78 T 8.62 4.41 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 79 D 7.81 4.91 0.00 2.73 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.41 0.00 2.35 2.36 0.00 3.78 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.23 0.00 81 A 8.00 4.09 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.17 4.10 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.67 3.75 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.99 0.00 0.00 84 L 8.48 4.05 0.00 1.97 1.84 1.06 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.78 4.28 0.00 3.23 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.02 4.00 0.00 2.40 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.67 0.00 87 I 7.88 3.60 2.02 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.20 0.87 0.00 0.00 88 N 8.14 4.31 0.00 2.90 2.77 0.00 0.00 6.92 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 A 7.63 3.73 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 C 7.73 2.00 0.00 1.23 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 7.38 3.68 0.00 1.83 1.84 0.00 3.18 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 92 K 7.78 3.79 0.00 1.81 1.84 0.00 1.77 0.00 0.00 1.65 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.55 7.81 93 A 7.31 4.13 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 R 8.22 4.31 0.00 1.08 0.66 0.00 2.21 0.00 0.00 2.49 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.50 0.00 95 S 8.48 4.17 0.00 3.93 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 N 7.99 4.81 0.00 2.89 2.90 0.00 0.00 5.77 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 F 7.64 4.67 0.00 2.83 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Y 8.65 4.37 0.00 2.79 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 I 9.16 5.52 1.90 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.25 0.96 0.00 0.00 100 K 9.45 5.02 0.00 1.62 1.77 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.30 0.00 0.00 0.00 0.00 1.17 1.01 7.81 101 V 7.86 4.70 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.73 0.00 0.00 102 V 8.85 4.75 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.75 0.00 0.00 103 G 9.14 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 F 9.38 5.26 0.00 3.13 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 S 7.75 4.85 0.00 3.79 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 S 8.52 4.54 0.00 3.98 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 V 7.78 3.56 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.90 0.00 0.00 107A R 8.09 3.72 0.00 1.83 1.87 0.00 3.29 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 107B G 7.95 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 I 7.69 3.78 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.45 0.76 0.00 0.00 109 E 7.78 4.06 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.48 0.00 110 S 6.27 4.62 0.00 3.83 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.64 4.64 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 112 I 8.42 4.57 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.73 0.87 0.00 0.00 113 I 7.48 4.10 2.05 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.44 1.14 0.00 0.00 114 S 8.27 4.99 0.00 3.83 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 F 8.41 5.33 0.00 3.33 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 I 8.70 4.47 2.07 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.01 1.16 0.00 0.00 117 V 8.96 4.60 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.92 0.00 0.00 118 N 7.67 4.48 0.00 2.67 2.66 0.00 0.00 6.90 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 R 8.48 4.26 0.00 1.64 1.46 0.00 3.29 0.00 0.00 3.36 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 120 P 0.00 4.23 0.00 1.78 1.24 0.00 2.20 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.44 0.00 121 K 8.44 4.08 0.00 1.77 1.91 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.38 7.81 122 H 7.95 4.79 0.00 3.05 3.14 0.00 5.68 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.39 4.72 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 124 P 0.00 4.27 0.00 2.12 2.11 0.00 3.70 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 125 G 8.88 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 F 8.57 5.05 0.00 2.77 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 N 8.94 4.88 0.00 1.68 2.59 0.00 0.00 6.94 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 L 8.54 5.02 0.00 1.70 1.61 1.04 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 129 M 9.06 4.46 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.84 0.00 130 R 8.59 4.15 0.00 1.62 1.72 0.00 3.24 0.00 0.00 3.19 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 131 Q 8.32 4.24 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 7.00 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 132 E 8.74 4.52 0.00 1.86 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 133 D 8.43 4.82 0.00 2.58 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 K 8.56 4.17 0.00 1.85 1.71 0.00 1.86 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.46 7.81 135 S 8.27 3.49 0.00 3.94 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 R 8.75 4.42 0.00 1.80 1.96 0.00 3.38 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 137 S 8.06 4.39 0.00 3.96 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 I 8.11 4.88 1.43 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.69 -0.06 0.00 0.00 139 K 8.82 4.41 0.00 1.56 1.72 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.52 7.81 140 Y 8.50 5.32 0.00 2.82 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 T 8.39 4.68 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 142 I 8.53 4.90 1.71 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.51 0.54 0.00 0.00 143 H 8.86 4.94 0.00 3.13 2.82 0.00 5.58 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 S 8.44 4.18 0.00 3.51 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 Y 8.02 4.53 0.00 3.10 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 E 7.96 3.91 0.00 1.62 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.47 0.00 147 S 7.55 4.29 0.00 3.64 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 Y 7.42 4.56 0.00 3.26 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 K 7.22 4.74 0.00 1.76 1.67 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.35 7.81 150 P 0.00 4.50 0.00 2.44 2.19 0.00 3.73 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 151 E 9.08 3.92 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 152 D 8.21 4.57 0.00 2.82 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 E 8.10 4.63 0.00 2.04 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 154 R 8.03 4.27 0.00 1.78 1.60 0.00 3.40 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 155 Y 8.76 3.87 0.00 2.89 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.